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3-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

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3-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SpectraBase Compound ID 61gCzVmv7Rw
InChI InChI=1S/C18H12ClF3N2O2S/c19-13-5-15-14(25-8-26-15)4-9(13)7-27-17-12(6-23)10-2-1-3-11(10)16(24-17)18(20,21)22/h4-5H,1-3,7-8H2
InChIKey CEOPRHHBEAFXJL-UHFFFAOYSA-N
Mol Weight 412.81 g/mol
Molecular Formula C18H12ClF3N2O2S
Exact Mass 412.026011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HS2h0bogbop
Name 3-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H12ClF3N2O2S/c19-13-5-15-14(25-8-26-15)4-9(13)7-27-17-12(6-23)10-2-1-3-11(10)16(24-17)18(20,21)22/h4-5H,1-3,7-8H2
InChIKey CEOPRHHBEAFXJL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1754
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9291811; UBI_ID: UBI-001755
Temperature 308 °C